SCHEMBL7356477

SCHEMBL7356477

CC1(C)C(=O)NC1c1ccncc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 3/20 0.39
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
KDM4E B2RXH2 5/20 0.38
ALDH1A1 P00352 5/20 0.38
HSD17B10 Q99714 3/20 0.38
GAA P10253 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
RAB9A P51151 1/20 0.36
MAPK10 P53779 1/20 0.36
AR P10275 1/20 0.36
HPGD P15428 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
KMT2A Q03164 2/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7358825 0.80 MAPT (0.49) LMNAL3MBTL1MAPTKDM4EALDH1A1
SCHEMBL7354999 0.77 KMT2A (0.51) LMNAALDH1A1GAASMN1; SMN2TDP1
SCHEMBL31668447 0.77 POLB (0.42) LMNAALDH1A1HSD17B10GAASMN1; SMN2
SCHEMBL7355253 0.70 ADORA2B (0.43) ALDH1A1GAACYP2C9CYP2C19TSHR
SCHEMBL7359606 0.68 MMP13 (0.39) L3MBTL1MAPTKDM4EKMT2AMEN1
SCHEMBL7364109 0.68 MAPT (0.48) MAPTALDH1A1GAATP53HPGD
SCHEMBL14143061 0.65 TSHR (0.51) LMNAL3MBTL1MAPTKDM4EALDH1A1
SCHEMBL9832061 0.64 PDE3B (0.49) KDM4EALDH1A1HSD17B10PDE4APDE4B
SCHEMBL17622810 0.63 TDP1 (0.61) LMNAL3MBTL1MAPTDDB1CRBN
SCHEMBL1529207 0.60 GRM5 (0.44) MAPTKDM4EALDH1A1HSD17B10SMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0800516-B1 FIBRINOGEN RECEPTOR ANTAGONISTS HAVING SUBSTITUTED (b)-AMINO ACID RESIDUES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME NIPPON STEEL CORP (JP) 2001-09-19 EP disclosed
US-5866592-A Fibrinogen receptor antagonist and pharmaceutical compositions comprising the same NIPPON STEEL CORPORATION (JP) 1999-02-02 US disclosed
EP-0800516-A1 FIBRINOGEN RECEPTOR ANTAGONISTS HAVING SUBSTITUTED (b)-AMINO ACID RESIDUES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME NIPPON STEEL CORPORATION (JP) 1997-10-15 EP disclosed
WO-1996020172-A1 FIBRINOGEN RECEPTOR ANTAGONISTS HAVING SUBSTITUTED β-AMINO ACID RESIDUES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME NIPPON STEEL CORPORATION (JP) 1996-07-04 WO disclosed